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Hydrochloric Acid → N-(2-(5-chloro-1H-indol-3-yl)ethyl)-4-phenylisoxazole-3-carboxamide

HRID 1134457
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HRID 1134457 반응식
[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[Cl:18][c:19]1[cH:20][c:21]2[c:22]([CH2:28][CH2:29][NH2:30])[cH:23][nH:24][c:25]2[cH:26][cH:27]1.[ClH:17].[Na+:61].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH-:60].[OH2:62].[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[c:1]1(-[c:7]2[c:8]([C:12]([O:14][CH2:13][CH3:15])=[O:16])[n:9][o:10][cH:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[n:38]1([O:39][C:40]([N:41]([CH3:42])[CH3:43])=[N+:44]([CH3:45])[CH3:46])[c:47]2[n:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[c:1]1(-[c:7]2[c:8]([C:12](=[O:14])[NH:30][CH2:29][CH2:28][c:22]3[c:21]4[cH:20][c:19]([Cl:18])[cH:27][cH:26][c:25]4[nH:24][cH:23]3)[n:9][o:10][cH:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1
참가 물질출처 및 근거반응 노트

참가 물질

12

반응물 11

HCID 313Hydrochloric AcidHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 9886Hexafluorophosphate
HCID 77379
5-Chlorotryptamine
HCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 13449587HCID 13449587, 화합물

생성물 1

HCID 66831904N-(2-(5-chloro-1H-indol-3-yl)ethyl)-4-phenylisoxazole-3-carboxamide

출처 및 근거

ORD 기록
ord-e9db842f40094bb6862cdc0fab528d65
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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